[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C19H25NO6 — CID 2099008

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H25NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23)
InChIKeyPRGFDSYUPKOSDU-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.13
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2099008) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2099008
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H25NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23)
InChIKeyPRGFDSYUPKOSDU-UHFFFAOYSA-N
XLogP2.13
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
Methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-methoxybenzoate
CID 3646368
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
CID 4188919
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 5106311
2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 5141739
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 16287058
[1-(4-Methoxyphenyl)-1-oxopropan-2-yl] 2-(cyclohexanecarbonylamino)acetate
CID 16301994
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868
[2-(2-Methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 24980588
(S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 44581360
Methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
CID 891719
[2-(2,5-Dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2118501

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2099008) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is PRGFDSYUPKOSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 363.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2099008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).